4-[2-[2-(phenylmethyl)-3H-benzimidazol-1-ium-1-yl]ethyl]morpholin-4-ium dichloride

Systemtic Name: 4-[2-[2-(phenylmethyl)-3H-benzimidazol-1-ium-1-yl]ethyl]morpholin-4-ium dichloride Openeye Name: 4-[2-(2-benzyl-3H-benzimidazol-1-ium-1-yl)ethyl]morpholin-4-ium dichloride CAS Name: 4-[2-[2-(phenylmethyl)-3H-benzimidazol-1-ium-1-yl]ethyl]morpholin-4-ium dichloride IUPAC Name: 4-[2-(2-benzyl-3H-benzimidazol-1-ium-1-yl)ethyl]morpholin-4-ium dichloride Traditional Name: 4-[2-(2-benzyl-3H-benzimidazol-1-ium-1-yl)ethyl]morpholin-4-ium dichloride Formula: C20H25Cl2N3O MolecularWeight: 394.338

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC[N+]2=C(NC3=CC=CC=C32)CC4=CC=CC=C4.[Cl-].[Cl-]

Isomeric SMILES

C1COCC[NH+]1CC[N+]2=C(NC3=CC=CC=C32)CC4=CC=CC=C4.[Cl-].[Cl-]

InChI

InChI=1S/C20H23N3O.2ClH/c1-2-6-17(7-3-1)16-20-21-18-8-4-5-9-19(18)23(20)11-10-22-12-14-24-15-13-22;;/h1-9H,10-16H2;2*1H